1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride

C19H15BrClF3N2O2 — CID 22050202

IUPAC1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(N)ccc1F.Cl
InChIInChI=1S/C19H14BrF3N2O2.ClH/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22;/h2-8H,9,24H2,1H3;1H
InChIKeyFYNJENHSOONYQD-UHFFFAOYSA-N
MW475.69 g/mol
LogP4.91
Rot. Bonds4

About 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride

1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride (PubChem CID 22050202) has the molecular formula C19H15BrClF3N2O2 and a molecular weight of 475.69 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
PubChem CID22050202
Molecular FormulaC19H15BrClF3N2O2
Molecular Weight475.69 g/mol
Exact Mass474.00
IUPAC Name1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(N)ccc1F.Cl
InChIInChI=1S/C19H14BrF3N2O2.ClH/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22;/h2-8H,9,24H2,1H3;1H
InChIKeyFYNJENHSOONYQD-UHFFFAOYSA-N
XLogP4.91
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.69
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 89134455
CID 89134455
3-(5-amino-2-fluorophenyl)-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one;hydrochloride
CID 21089222
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
1-[(3-aminophenyl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050290
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
CID 141203406
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chloro-N-methylbenzamide
CID 56662990

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The IUPAC name of 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride (CID 22050202) is 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(N)ccc1F.Cl.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
The InChIKey is FYNJENHSOONYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N2O2.ClH/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22;/h2-8H,9,24H2,1H3;1H.
What are the key properties of 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride?
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride has a molecular weight of 475.69 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 22050202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).